REMARK Name = BDB028420 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.008 2.335 -1.308 0.00 0.00 +0.027 A ATOM 2 C LIG 1 0.177 2.043 -1.974 0.00 0.00 +0.078 A ATOM 3 N LIG 1 0.345 3.077 -2.871 0.00 0.00 -0.266 N ATOM 4 C LIG 1 1.452 3.284 -3.777 0.00 0.00 +0.173 C ATOM 5 N LIG 1 -0.658 3.975 -2.856 0.00 0.00 -0.179 NA ATOM 6 C LIG 1 -1.462 3.539 -1.886 0.00 0.00 +0.143 A ENDROOT BRANCH 1 16 ATOM 7 C LIG 1 -2.695 2.132 3.352 0.00 0.00 +0.044 C ATOM 8 C LIG 1 -2.419 1.413 2.058 0.00 0.00 -0.037 A ATOM 9 C LIG 1 -2.668 0.034 1.875 0.00 0.00 +0.053 A ATOM 10 C LIG 1 -2.373 -0.571 0.647 0.00 0.00 +0.012 A ATOM 11 C LIG 1 -2.625 -2.029 0.503 0.00 0.00 +0.083 A ATOM 12 N LIG 1 -3.123 -2.756 1.459 0.00 0.00 -0.174 NA ATOM 13 N LIG 1 -3.420 -2.151 2.634 0.00 0.00 -0.242 N ATOM 14 H LIG 1 -3.812 -2.740 3.364 0.00 0.00 +0.192 HD ATOM 15 C LIG 1 -1.844 0.188 -0.406 0.00 0.00 +0.019 A ATOM 16 C LIG 1 -1.585 1.550 -0.234 0.00 0.00 -0.013 A ATOM 17 C LIG 1 -3.240 -0.825 2.943 0.00 0.00 +0.273 A ATOM 18 O LIG 1 -3.547 -0.400 4.050 0.00 0.00 -0.266 OA ATOM 19 C LIG 1 -1.877 2.154 0.992 0.00 0.00 +0.012 A BRANCH 11 20 ATOM 20 C LIG 1 -2.275 -2.706 -0.828 0.00 0.00 +0.136 C BRANCH 20 21 ATOM 21 N LIG 1 -2.555 -4.147 -0.778 0.00 0.00 -0.325 NA ATOM 22 H LIG 1 -2.074 -4.525 0.042 0.00 0.00 +0.119 HD ATOM 23 H LIG 1 -3.542 -4.258 -0.531 0.00 0.00 +0.119 HD ENDBRANCH 20 21 ENDBRANCH 11 20 ENDBRANCH 1 16 BRANCH 2 24 ATOM 24 C LIG 1 1.127 0.939 -1.804 0.00 0.00 +0.022 A ATOM 25 C LIG 1 1.954 0.825 -0.669 0.00 0.00 +0.102 A ATOM 26 C LIG 1 2.802 -0.286 -0.547 0.00 0.00 +0.139 A ATOM 27 C LIG 1 2.857 -1.257 -1.552 0.00 0.00 +0.047 A ATOM 28 C LIG 1 2.041 -1.142 -2.674 0.00 0.00 +0.004 A ATOM 29 C LIG 1 1.179 -0.053 -2.799 0.00 0.00 +0.011 A BRANCH 25 30 ATOM 30 C LIG 1 1.940 1.823 0.364 0.00 0.00 +0.103 C ATOM 31 N LIG 1 1.916 2.635 1.194 0.00 0.00 -0.191 NA ENDBRANCH 25 30 BRANCH 26 32 ATOM 32 O LIG 1 3.626 -0.374 0.550 0.00 0.00 -0.488 OA BRANCH 32 33 ATOM 33 C LIG 1 3.485 -1.615 1.275 0.00 0.00 +0.174 C ATOM 34 C LIG 1 4.670 -2.541 1.243 0.00 0.00 +0.048 C ATOM 35 C LIG 1 4.381 -1.740 2.478 0.00 0.00 +0.048 C ENDBRANCH 32 33 ENDBRANCH 26 32 ENDBRANCH 2 24 TORSDOF 7